Geometry & MOs

Info

ID:	89591
PubChem CID:	49962940
Reduced:	BrN2O3C15H19 (1)
Stoich.:	AB2C3D15E19 (1)
Weight, g/mol:	286.139137
ΔH_f, kcal/mol:	-69.45
Dipole, Da:	8.0
IP(EA), eV:	-8.98(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-tert-butylphenyl)-(4-methylsulfanylphenyl)methanol

Drug info:

PubChemData

Smile

CC(C)N1C(=CC=N1)C(C2=CC(=C(C=C2OC)OC)Br)O

DOS

IR

Vibrations